5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one

C14H22N4O — CID 6485907

IUPAC5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCN(C)CCNCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H22N4O/c1-16(2)8-7-15-10-11-5-6-12-13(9-11)18(4)14(19)17(12)3/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyJLJDFEMVLSVJAX-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.53
Rot. Bonds5

About 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 6485907) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID6485907
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCN(C)CCNCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H22N4O/c1-16(2)8-7-15-10-11-5-6-12-13(9-11)18(4)14(19)17(12)3/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyJLJDFEMVLSVJAX-UHFFFAOYSA-N
XLogP0.53
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one (CID 6485907) is 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is CN(C)CCNCc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is JLJDFEMVLSVJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16(2)8-7-15-10-11-5-6-12-13(9-11)18(4)14(19)17(12)3/h5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 262.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 6485907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).